N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine

C11H10Br3NS2 — CID 80533919

IUPACN-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H10Br3NS2/c1-2-15-10(7-3-4-9(13)16-7)8-5-6(12)11(14)17-8/h3-5,10,15H,2H2,1H3
InChIKeySREVZURYHHMCGV-UHFFFAOYSA-N
MW460.05 g/mol
LogP5.80
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine (PubChem CID 80533919) has the molecular formula C11H10Br3NS2 and a molecular weight of 460.05 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
PubChem CID80533919
Molecular FormulaC11H10Br3NS2
Molecular Weight460.05 g/mol
Exact Mass456.78
IUPAC NameN-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H10Br3NS2/c1-2-15-10(7-3-4-9(13)16-7)8-5-6(12)11(14)17-8/h3-5,10,15H,2H2,1H3
InChIKeySREVZURYHHMCGV-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.05
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
N-[(4,5-dibromothiophen-2-yl)-phenylmethyl]ethanamine
CID 80533895
N-[(4,5-dibromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 80533737
N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829
N-[(4,5-dibromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 80533967
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 80532243
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
N-[(3-bromo-4-fluorophenyl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80536183
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
N-[(4-bromo-2,6-difluorophenyl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533892
N-[(4,5-dibromothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 80534072
N-[(4,5-dibromothiophen-2-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105018887

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine (CID 80533919) is N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cc(Br)c(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The InChIKey is SREVZURYHHMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br3NS2/c1-2-15-10(7-3-4-9(13)16-7)8-5-6(12)11(14)17-8/h3-5,10,15H,2H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine has a molecular weight of 460.05 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 80533919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).